Geometry & MOs

Info

ID:	355323
PubChem CID:	127288300
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	76.75
Dipole, Da:	5.2
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C)CN2CCC3=CN=CN=C3C2

DOS

IR

Vibrations